#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p9j s VAL 2 N 0.00 4.94 0.00 1.55 1.01 -1.26 -4.53 120.40 122.11 1p9j s VAL 2 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1p9j s VAL 2 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1p9j s VAL 2 CO 0.00 -0.13 0.00 -1.20 0.00 0.00 0.00 175.10 173.77 1p9j n SER 3 N 5.87 0.03 -4.75 3.32 7.64 -1.26 -5.07 113.62 119.41 1p9j n SER 3 Ca -0.01 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1p9j n SER 3 Cb 0.49 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 1p9j n SER 3 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1p9j s HIS 4 N -2.00 3.36 -0.02 1.43 3.76 -1.26 -5.10 115.29 115.46 1p9j s HIS 4 Ca 0.00 0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1p9j s HIS 4 Cb 0.00 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1p9j s HIS 4 CO 0.00 0.49 0.16 0.12 -0.85 0.00 0.00 174.74 174.66 1p9j s PHE 5 N -0.58 3.50 0.12 1.40 5.36 -1.26 -4.69 117.98 121.82 1p9j s PHE 5 Ca 0.11 0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 56.42 1p9j s PHE 5 Cb -0.12 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 1p9j s PHE 5 CO 0.02 0.64 0.06 -0.80 -1.46 0.00 0.00 175.22 173.68 1p9j s ASN 6 N -1.76 0.32 0.17 6.13 -0.87 -1.26 -5.10 114.94 112.56 1p9j s ASN 6 Ca 0.25 -1.16 0.02 0.00 -1.57 0.00 0.00 52.86 50.40 1p9j s ASN 6 Cb -0.12 0.29 -0.04 0.00 -0.02 0.00 0.00 41.25 41.36 1p9j s ASN 6 CO 0.16 -0.72 0.31 -1.81 -2.57 0.00 0.00 177.10 172.46 1p9j s ASP 7 N -3.02 6.34 -0.64 -1.22 1.01 -1.26 -4.50 116.67 113.38 1p9j s ASP 7 Ca 0.21 0.18 0.05 0.00 0.71 0.00 0.00 52.55 53.71 1p9j s ASP 7 Cb 0.07 -1.92 0.20 0.00 1.01 0.00 0.00 42.92 42.29 1p9j s ASP 7 CO -0.00 0.02 0.56 0.00 0.21 0.00 0.00 175.17 175.96 1p9j h PRO 9 N 4.94 0.00 0.00 0.00 0.13 -1.99 -3.08 132.00 132.00 1p9j h PRO 9 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 1p9j h PRO 9 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1p9j h PRO 9 CO 0.71 0.33 -0.50 -0.07 -0.23 0.00 0.00 178.00 178.24 1p9j h LEU 10 N 0.00 0.00 -8.98 1.56 4.07 -2.06 -3.43 115.31 106.46 1p9j h LEU 10 Ca -0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 1p9j h LEU 10 Cb 1.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1p9j h LEU 10 CO 0.04 0.50 1.24 -0.44 -1.08 0.00 0.00 178.44 178.71 1p9j s SER 11 N -6.74 6.07 -0.75 -0.43 0.01 -1.16 -4.96 113.70 105.73 1p9j s SER 11 Ca -0.01 1.60 -0.16 0.00 1.31 0.00 0.00 55.95 58.69 1p9j s SER 11 Cb 0.13 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 64.00 1p9j s SER 11 CO 0.73 -1.52 0.77 -1.00 0.41 0.00 0.00 173.24 172.64 1p9j s HIS 12 N 6.23 3.42 0.62 2.43 3.76 -1.26 -5.05 115.29 125.43 1p9j s HIS 12 Ca 0.80 -1.58 -0.14 0.00 -0.15 0.00 0.00 55.06 53.99 1p9j s HIS 12 Cb -0.26 -3.93 -0.03 0.00 1.11 0.00 0.00 32.58 29.47 1p9j s HIS 12 CO 0.33 -1.14 1.05 -0.51 -0.85 0.00 0.00 174.74 173.62 1p9j s ASP 13 N 2.93 5.72 0.00 1.40 1.01 -1.26 -4.91 116.67 121.56 1p9j s ASP 13 Ca 0.17 1.75 0.00 0.00 0.71 0.00 0.00 52.55 55.17 1p9j s ASP 13 Cb -0.15 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1p9j s ASP 13 CO -0.04 -1.21 0.00 0.61 0.21 0.00 0.00 175.17 174.74 1p9j n GLY 14 N -1.30 0.00 0.13 0.21 0.00 -1.26 -4.95 105.19 98.02 1p9j n GLY 14 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1p9j n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1p9j h TYR 15 N 0.00 0.51 -3.13 1.61 3.20 -2.00 -3.42 116.97 113.73 1p9j h TYR 15 Ca 0.00 -0.37 -0.63 0.00 3.14 0.00 0.00 58.73 60.87 1p9j h TYR 15 Cb 0.00 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.11 1p9j h TYR 15 CO 0.00 1.55 0.43 0.00 -1.64 0.00 0.00 178.16 178.49 1p9j s LEU 17 N 3.62 2.83 -1.64 0.00 1.43 -1.07 -3.10 118.68 120.76 1p9j s LEU 17 Ca 0.25 0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1p9j s LEU 17 Cb -0.15 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1p9j s LEU 17 CO 0.16 -1.53 0.07 1.57 0.23 0.00 0.00 176.35 176.86 1p9j n HIS 18 N -2.97 -1.04 -3.16 0.29 -0.00 -1.26 -3.56 115.22 103.52 1p9j n HIS 18 Ca 0.07 0.06 -0.14 0.00 0.46 0.00 0.00 57.72 58.17 1p9j n HIS 18 Cb 0.59 -3.84 0.01 0.00 -0.12 0.00 0.00 29.99 26.64 1p9j n HIS 18 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1p9j n ASP 19 N -1.78 -7.03 -4.77 0.26 8.00 -1.26 -5.00 116.55 104.98 1p9j n ASP 19 Ca -0.21 0.04 -0.35 0.00 0.71 0.00 0.00 54.79 54.97 1p9j n ASP 19 Cb 0.67 -4.15 0.02 0.00 -0.02 0.00 0.00 41.12 37.64 1p9j n ASP 19 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1p9j s GLY 20 N -2.54 2.54 -0.16 0.44 0.00 -1.18 -4.99 107.32 101.44 1p9j s GLY 20 Ca 0.18 0.80 -0.23 0.00 0.00 0.00 0.00 44.72 45.47 1p9j s GLY 20 CO 0.80 1.17 0.71 0.14 0.00 0.00 0.00 173.10 175.92 1p9j s VAL 21 N -1.87 4.98 -0.24 1.40 1.01 0.31 -4.92 120.40 121.08 1p9j s VAL 21 Ca 0.72 1.39 -0.10 0.00 0.00 0.00 0.00 61.98 64.00 1p9j s VAL 21 Cb -0.24 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1p9j s VAL 21 CO 0.32 0.12 0.15 0.00 0.00 0.00 0.00 175.10 175.68 1p9j s MET 23 N 1.00 1.40 -0.37 0.00 0.23 -0.94 -4.70 119.30 115.91 1p9j s MET 23 Ca 0.07 -1.32 -0.12 0.00 -1.03 0.00 0.00 55.69 53.30 1p9j s MET 23 Cb -0.13 -2.66 0.02 0.00 -1.53 0.00 0.00 34.83 30.52 1p9j s MET 23 CO 0.04 -0.80 0.23 -0.47 -2.03 0.00 0.00 175.02 171.99 1p9j s TYR 24 N 1.27 3.23 -0.24 3.16 5.04 -1.26 -1.93 117.35 126.62 1p9j s TYR 24 Ca 0.03 -0.75 -0.07 0.00 -2.44 0.00 0.00 57.07 53.84 1p9j s TYR 24 Cb -0.19 -2.47 -0.03 0.00 0.35 0.00 0.00 41.96 39.62 1p9j s TYR 24 CO -0.11 -0.58 0.07 0.42 -1.34 0.00 0.00 175.55 174.01 1p9j s ILE 25 N 1.61 4.43 0.14 3.14 1.09 -1.10 -4.21 121.20 126.29 1p9j s ILE 25 Ca 0.03 -0.14 -0.19 0.00 -1.10 0.00 0.00 60.65 59.26 1p9j s ILE 25 Cb -0.19 -3.06 -0.01 0.00 -1.06 0.00 0.00 42.46 38.15 1p9j s ILE 25 CO 0.08 0.36 1.71 -0.08 -0.10 0.00 0.00 174.94 176.91 1p9j h GLU 26 N 7.95 0.07 0.00 2.79 4.81 -1.85 -2.58 114.58 125.77 1p9j h GLU 26 Ca -0.37 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1p9j h GLU 26 Cb 1.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1p9j h GLU 26 CO 0.60 0.04 0.08 0.00 -0.73 0.00 0.00 179.01 179.00 1p9j h ALA 27 N 1.22 1.08 0.00 2.92 0.00 -1.92 -1.05 119.26 121.51 1p9j h ALA 27 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1p9j h ALA 27 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1p9j h ALA 27 CO -0.21 -0.08 -1.68 -0.07 0.00 0.00 0.00 179.25 177.21 1p9j h LEU 28 N 0.00 0.00 0.00 0.00 3.38 -1.70 -3.39 115.31 113.60 1p9j h LEU 28 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1p9j h LEU 28 Cb 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1p9j h LEU 28 CO 0.00 1.01 0.00 0.47 0.09 0.00 0.00 178.44 180.01 1p9j n ASP 29 N -3.06 -4.79 -4.42 -0.43 8.00 -0.40 -5.01 116.55 106.44 1p9j n ASP 29 Ca -0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.13 1p9j n ASP 29 Cb 1.05 -2.29 -0.10 0.00 -0.02 0.00 0.00 41.12 39.75 1p9j n ASP 29 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1p9j s LYS 30 N -1.19 1.54 0.23 -1.24 -0.14 -1.24 -5.03 119.74 112.66 1p9j s LYS 30 Ca 0.00 -1.77 0.05 0.00 -1.36 0.00 0.00 55.97 52.89 1p9j s LYS 30 Cb 0.00 -1.20 -0.05 0.00 -1.68 0.00 0.00 37.83 34.90 1p9j s LYS 30 CO 0.00 0.07 -0.04 1.52 -0.76 0.00 0.00 175.35 176.14 1p9j s TYR 31 N -2.97 1.62 0.33 3.18 1.13 -1.26 -2.72 117.35 116.66 1p9j s TYR 31 Ca 0.29 -0.82 -0.01 0.00 -1.41 0.00 0.00 57.07 55.12 1p9j s TYR 31 Cb 0.03 -0.90 -0.00 0.00 -1.10 0.00 0.00 41.96 39.98 1p9j s TYR 31 CO 0.12 0.08 0.43 0.00 -2.51 0.00 0.00 175.55 173.67 1p9j s ALA 32 N -3.28 0.97 -0.02 9.51 0.00 -0.81 -5.00 121.76 123.13 1p9j s ALA 32 Ca 0.26 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.67 1p9j s ALA 32 Cb 0.04 1.22 -0.02 0.00 0.00 0.00 0.00 23.12 24.36 1p9j s ALA 32 CO 0.08 -0.76 -0.22 0.00 0.00 0.00 0.00 175.76 174.86 1p9j s ASN 34 N -0.73 3.46 0.39 0.00 2.47 0.00 -4.94 114.94 115.58 1p9j s ASN 34 Ca 0.11 -0.71 0.04 0.00 0.42 0.00 0.00 52.86 52.72 1p9j s ASN 34 Cb -0.10 -0.30 -0.04 0.00 -1.45 0.00 0.00 41.25 39.36 1p9j s ASN 34 CO -0.00 0.18 0.08 0.00 -3.72 0.00 0.00 177.10 173.64 1p9j s VAL 36 N -3.19 3.21 0.08 0.00 -7.23 -1.26 -5.01 120.40 107.00 1p9j s VAL 36 Ca 0.27 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 59.77 1p9j s VAL 36 Cb 0.05 -3.25 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 1p9j s VAL 36 CO 0.14 -0.21 1.11 -0.69 -0.31 0.00 0.00 175.10 175.13 1p9j s VAL 37 N -2.86 4.21 0.00 1.32 1.01 -1.26 -3.39 120.40 119.44 1p9j s VAL 37 Ca 0.55 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1p9j s VAL 37 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1p9j s VAL 37 CO 0.41 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1p9j n GLY 38 N 2.82 1.00 2.75 4.51 0.00 -1.26 -5.06 105.19 109.96 1p9j n GLY 38 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1p9j n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1p9j s TYR 39 N -2.00 -0.34 0.39 1.61 2.02 -1.22 -1.44 117.35 116.37 1p9j s TYR 39 Ca 0.00 0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.79 1p9j s TYR 39 Cb 0.00 -0.42 -0.08 0.00 -0.40 0.00 0.00 41.96 41.07 1p9j s TYR 39 CO 0.00 -0.75 0.01 0.96 -1.57 0.00 0.00 175.55 174.19 1p9j s ILE 40 N 2.34 1.93 0.00 2.71 -4.36 -0.48 -4.70 121.20 118.63 1p9j s ILE 40 Ca 0.08 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1p9j s ILE 40 Cb -0.15 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1p9j s ILE 40 CO -0.22 -0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1p9j n GLY 41 N -0.92 -3.43 0.16 6.27 0.00 -1.26 -2.24 105.19 103.78 1p9j n GLY 41 Ca -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 1p9j n GLY 41 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1p9j h GLU 42 N 0.00 0.16 -0.25 1.61 4.81 -2.02 -2.54 114.58 116.35 1p9j h GLU 42 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1p9j h GLU 42 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1p9j h GLU 42 CO 0.00 0.69 0.00 2.89 -0.73 0.00 0.00 179.01 181.86 1p9j n ARG 43 N -3.89 2.56 -2.89 1.92 0.00 -1.26 -4.99 116.66 108.11 1p9j n ARG 43 Ca -0.02 -1.83 -0.22 0.00 -0.00 0.00 0.00 57.85 55.78 1p9j n ARG 43 Cb 0.59 -1.21 0.03 0.00 -0.00 0.00 0.00 32.46 31.86 1p9j n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p9j h GLN 45 N -1.11 0.00 -6.69 0.00 3.07 -1.83 -3.41 115.11 105.14 1p9j h GLN 45 Ca -0.53 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 57.71 1p9j h GLN 45 Cb 1.37 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.90 1p9j h GLN 45 CO 0.58 0.25 0.19 0.71 0.09 0.00 0.00 178.83 180.65 1p9j s TYR 46 N -3.03 3.63 -0.19 0.06 2.02 -0.95 -4.90 117.35 113.99 1p9j s TYR 46 Ca -0.01 1.50 -0.10 0.00 -0.37 0.00 0.00 57.07 58.09 1p9j s TYR 46 Cb 0.09 -2.71 -0.05 0.00 -0.40 0.00 0.00 41.96 38.89 1p9j s TYR 46 CO 0.79 0.27 0.15 0.50 -1.57 0.00 0.00 175.55 175.69 1p9j s ARG 47 N -2.11 4.15 -0.56 -0.62 3.52 -1.26 -1.38 118.95 120.69 1p9j s ARG 47 Ca 0.47 -0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.61 1p9j s ARG 47 Cb -0.16 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1p9j s ARG 47 CO 0.21 0.32 1.42 -0.51 -0.81 0.00 0.00 175.30 175.94 1p9j s ASP 48 N 0.29 6.11 0.00 -2.12 1.01 -0.52 -4.84 116.67 116.60 1p9j s ASP 48 Ca 0.09 0.30 0.27 0.00 0.71 0.00 0.00 52.55 53.92 1p9j s ASP 48 Cb -0.11 -2.55 1.22 0.00 1.01 0.00 0.00 42.92 42.49 1p9j s ASP 48 CO -0.01 -1.72 1.83 -0.11 0.21 0.00 0.00 175.17 175.37 1p9j n LEU 49 N 9.63 1.05 -0.07 1.23 7.94 -1.26 -4.15 117.00 131.36 1p9j n LEU 49 Ca 0.13 -0.37 -0.04 0.00 -1.11 0.00 0.00 56.01 54.62 1p9j n LEU 49 Cb 0.49 -0.02 0.18 0.00 0.53 0.00 0.00 43.42 44.61 1p9j n LEU 49 CO 0.71 0.19 0.86 0.11 -1.11 0.00 0.00 177.39 178.14 1p9j h LYS 50 N 1.58 0.70 0.00 1.96 6.56 -1.90 -1.77 116.57 123.70 1p9j h LYS 50 Ca 0.00 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1p9j h LYS 50 Cb 0.34 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1p9j h LYS 50 CO 0.00 0.75 -1.17 -2.67 -2.06 0.00 0.00 179.45 174.30 1p9j n TRP 51 N -4.21 0.75 -0.01 -1.35 4.27 -1.26 -4.12 117.44 111.51 1p9j n TRP 51 Ca 0.02 0.22 -0.13 0.00 -3.89 0.00 0.00 57.50 53.72 1p9j n TRP 51 Cb 0.31 -0.84 -0.09 0.00 -1.36 0.00 0.00 31.31 29.34 1p9j n TRP 51 CO 0.00 0.00 0.00 -1.49 -2.29 0.00 0.00 177.69 173.91 1p9j h TRP 52 N 0.00 0.07 -1.82 -2.67 4.06 -1.72 -3.30 115.95 110.57 1p9j h TRP 52 Ca 0.00 -0.01 -0.77 0.00 2.06 0.00 0.00 58.89 60.16 1p9j h TRP 52 Cb 0.98 -0.02 -0.19 0.00 -1.00 0.00 0.00 29.16 28.93 1p9j h TRP 52 CO 0.00 0.41 1.69 0.39 -3.56 0.00 0.00 178.44 177.36 1p9j n GLU 53 N -4.87 4.22 0.00 0.49 1.02 -0.68 -5.14 120.64 115.67 1p9j n GLU 53 Ca -0.08 -3.89 0.00 0.00 -0.02 0.00 0.00 57.16 53.17 1p9j n GLU 53 Cb 0.21 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 1p9j n GLU 53 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20